5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane

C14H22O2 — CID 11127890

IUPAC5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane
SMILESC=CCOC1CCC(=C)C2(CCCCC2)O1
InChIInChI=1S/C14H22O2/c1-3-11-15-13-8-7-12(2)14(16-13)9-5-4-6-10-14/h3,13H,1-2,4-11H2
InChIKeyQAHUIEYDXFVINA-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.58
Rot. Bonds3

About 5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane

5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane (PubChem CID 11127890) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane.

Molecular Properties

Compound Name5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane
PubChem CID11127890
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane
SMILESC=CCOC1CCC(=C)C2(CCCCC2)O1
InChIInChI=1S/C14H22O2/c1-3-11-15-13-8-7-12(2)14(16-13)9-5-4-6-10-14/h3,13H,1-2,4-11H2
InChIKeyQAHUIEYDXFVINA-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-Cyclohexylprop-2-enoxy)oxane
CID 54027830
2-[(E,1S)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane
CID 88794921
2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane
CID 88794922
2-[(E,1R)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane
CID 88795488
2-(1-Ethenylcyclohexyl)oxyoxane
CID 140985775
2-Ethenyl-6-ethoxy-2-methyloxane
CID 163923652
2-Ethoxy-5-methylidene-1-oxaspiro[5.5]undecane
CID 10703678
2-[(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexyl]oxyoxane
CID 10705847
2-Methyl-3-methylidene-2-(4-methylpent-3-enyl)-6-prop-2-enoxyoxane
CID 10933943
2-Methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane
CID 11020550
2-[1-Cyclohexyl-2-(ethenoxymethyl)prop-2-enoxy]oxane
CID 11087183
5-Methylidene-1-oxaspiro[5.5]undecan-2-ol
CID 11769181

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane?
The IUPAC name of 5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane (CID 11127890) is 5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane.
What is the SMILES notation for 5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane?
The canonical SMILES for 5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane is C=CCOC1CCC(=C)C2(CCCCC2)O1.
What is the InChIKey of 5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane?
The InChIKey is QAHUIEYDXFVINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-11-15-13-8-7-12(2)14(16-13)9-5-4-6-10-14/h3,13H,1-2,4-11H2.
What are the key properties of 5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane?
5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane has a molecular weight of 222.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-prop-2-enoxy-1-oxaspiro[5.5]undecane is sourced from PubChem (CID 11127890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).